data_27953 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Sequence-specific assignments of Plasmodium falciparum PFE0055c J-domain ; _BMRB_accession_number 27953 _BMRB_flat_file_name bmr27953.str _Entry_type original _Submission_date 2019-06-21 _Accession_date 2019-06-21 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Vakonakis Ioannis . . 2 Day Jemma . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 65 "13C chemical shifts" 132 "15N chemical shifts" 65 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2020-02-05 update BMRB 'update entry citation' 2019-09-23 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 27952 PFA0660w stop_ _Original_release_date 2019-06-21 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The Plasmodium falciparum Hsp70-x chaperone assists the heat stress response of the malaria parasite ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 31690116 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Day Jemma . . 2 Passecker Armin . . 3 Beck Hans-Peter . . 4 Vakonakis Ioannis . . stop_ _Journal_abbreviation 'FASEB J.' _Journal_name_full 'FASEB journal : official publication of the Federation of American Societies for Experimental Biology' _Journal_volume 33 _Journal_issue 12 _Journal_ISSN 1530-6860 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 14611 _Page_last 14624 _Year 2019 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name PFE0055c _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label J-domain $PFE0055c-J stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_PFE0055c-J _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PFE0055c-J _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function Co-chaperone stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 74 _Mol_residue_sequence ; GPDETDYYAVLGLTKDCTQD DIKKAYRKLAMKWHPDKHLN DEDKVEAERKFKLIGEAYEV LSDEEKRKNYDLFG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -1 GLY 2 0 PRO 3 1 ASP 4 2 GLU 5 3 THR 6 4 ASP 7 5 TYR 8 6 TYR 9 7 ALA 10 8 VAL 11 9 LEU 12 10 GLY 13 11 LEU 14 12 THR 15 13 LYS 16 14 ASP 17 15 CYS 18 16 THR 19 17 GLN 20 18 ASP 21 19 ASP 22 20 ILE 23 21 LYS 24 22 LYS 25 23 ALA 26 24 TYR 27 25 ARG 28 26 LYS 29 27 LEU 30 28 ALA 31 29 MET 32 30 LYS 33 31 TRP 34 32 HIS 35 33 PRO 36 34 ASP 37 35 LYS 38 36 HIS 39 37 LEU 40 38 ASN 41 39 ASP 42 40 GLU 43 41 ASP 44 42 LYS 45 43 VAL 46 44 GLU 47 45 ALA 48 46 GLU 49 47 ARG 50 48 LYS 51 49 PHE 52 50 LYS 53 51 LEU 54 52 ILE 55 53 GLY 56 54 GLU 57 55 ALA 58 56 TYR 59 57 GLU 60 58 VAL 61 59 LEU 62 60 SER 63 61 ASP 64 62 GLU 65 63 GLU 66 64 LYS 67 65 ARG 68 66 LYS 69 67 ASN 70 68 TYR 71 69 ASP 72 70 LEU 73 71 PHE 74 72 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value UNP Q8I489 . . . . . . stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $PFE0055c-J 'Plasmodium falciparum' 5833 Eukaryota . Plasmodium falciparum 3D7 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $PFE0055c-J 'recombinant technology' . Escherichia coli BL21(DE3) pFLOAT stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $PFE0055c-J 0.5 mM '[U-99% 13C; U-99% 15N]' D2O 5 % 'natural abundance' DSS 0.05 mM 'natural abundance' DTT 2 mM 'natural abundance' 'sodium chloride' 150 mM 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 750 _Details 'Oxford Instruments supercon magnet, Bruker Avance-III console, TCI cryoprobe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.38 . M pH 7.4 . pH pressure 1 . atm temperature 273 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $TOPSPIN $NMRPipe $SPARKY stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name J-domain _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 4 6 ASP H H 8.26757 0.02 1 2 4 6 ASP CA C 53.0753 0.2 1 3 4 6 ASP CB C 41.0043 0.2 1 4 4 6 ASP N N 122.553 0.2 1 5 5 7 TYR H H 8.00243 0.02 1 6 5 7 TYR CA C 58.3663 0.2 1 7 5 7 TYR CB C 37.709 0.2 1 8 5 7 TYR N N 121.254 0.2 1 9 6 8 TYR H H 7.69257 0.02 1 10 6 8 TYR CA C 62.7553 0.2 1 11 6 8 TYR CB C 36.277 0.2 1 12 6 8 TYR N N 115.643 0.2 1 13 7 9 ALA H H 7.84914 0.02 1 14 7 9 ALA CA C 54.7657 0.2 1 15 7 9 ALA CB C 18.1137 0.2 1 16 7 9 ALA N N 122.317 0.2 1 17 8 10 VAL H H 7.896 0.02 1 18 8 10 VAL CA C 66.069 0.2 1 19 8 10 VAL CB C 31.461 0.2 1 20 8 10 VAL N N 119.455 0.2 1 21 9 11 LEU H H 6.87429 0.02 1 22 9 11 LEU CA C 53.9427 0.2 1 23 9 11 LEU CB C 42.4057 0.2 1 24 9 11 LEU N N 114.81 0.2 1 25 10 12 GLY H H 7.92567 0.02 1 26 10 12 GLY CA C 46.28 0.2 1 27 10 12 GLY N N 108.328 0.2 1 28 11 13 LEU H H 8.20468 0.02 1 29 11 13 LEU CA C 53.08 0.2 1 30 11 13 LEU CB C 48.5463 0.2 1 31 11 13 LEU N N 120.064 0.2 1 32 12 14 THR H H 7.82586 0.02 1 33 12 14 THR CA C 59.7323 0.2 1 34 12 14 THR CB C 71.27 0.2 1 35 12 14 THR N N 109.904 0.2 1 36 13 15 LYS H H 8.11057 0.02 1 37 13 15 LYS CA C 57.7223 0.2 1 38 13 15 LYS CB C 32.416 0.2 1 39 13 15 LYS N N 117.937 0.2 1 40 14 16 ASP H H 7.66286 0.02 1 41 14 16 ASP CA C 53.132 0.2 1 42 14 16 ASP CB C 40.043 0.2 1 43 14 16 ASP N N 115.954 0.2 1 44 15 17 CYS H H 7.572 0.02 1 45 15 17 CYS CA C 57.2755 0.2 1 46 15 17 CYS CB C 29.069 0.2 1 47 15 17 CYS N N 117.571 0.2 1 48 16 18 THR H H 9.28886 0.02 1 49 16 18 THR CA C 60.0479 0.2 1 50 16 18 THR CB C 72.148 0.2 1 51 16 18 THR N N 112.241 0.2 1 52 17 19 GLN H H 9.02171 0.02 1 53 17 19 GLN CA C 58.5773 0.2 1 54 17 19 GLN CB C 28.0507 0.2 1 55 17 19 GLN N N 118.561 0.2 1 56 18 20 ASP H H 8.33757 0.02 1 57 18 20 ASP CA C 57.661 0.2 1 58 18 20 ASP CB C 40.936 0.2 1 59 18 20 ASP N N 119.775 0.2 1 60 19 21 ASP CA C 57.6375 0.2 1 61 19 21 ASP CB C 41.0405 0.2 1 62 20 22 ILE H H 7.76214 0.02 1 63 20 22 ILE CA C 65.7483 0.2 1 64 20 22 ILE CB C 38.5413 0.2 1 65 20 22 ILE N N 121.965 0.2 1 66 21 23 LYS H H 7.99214 0.02 1 67 21 23 LYS CA C 60.7217 0.2 1 68 21 23 LYS CB C 32.595 0.2 1 69 21 23 LYS N N 119.184 0.2 1 70 22 24 LYS H H 8.27274 0.02 1 71 22 24 LYS CA C 59.9097 0.2 1 72 22 24 LYS CB C 32.983 0.2 1 73 22 24 LYS N N 118.672 0.2 1 74 23 25 ALA H H 8.33986 0.02 1 75 23 25 ALA CA C 55.3043 0.2 1 76 23 25 ALA CB C 19.4707 0.2 1 77 23 25 ALA N N 122.428 0.2 1 78 24 26 TYR H H 8.42573 0.02 1 79 24 26 TYR CA C 61.6843 0.2 1 80 24 26 TYR CB C 39.3827 0.2 1 81 24 26 TYR N N 116.939 0.2 1 82 25 27 ARG H H 7.96357 0.02 1 83 25 27 ARG CA C 59.35 0.2 1 84 25 27 ARG CB C 29.599 0.2 1 85 25 27 ARG N N 116.835 0.2 1 86 26 28 LYS H H 7.6062 0.02 1 87 26 28 LYS CA C 59.2417 0.2 1 88 26 28 LYS CB C 32.5773 0.2 1 89 26 28 LYS N N 117.433 0.2 1 90 27 29 LEU H H 8.33957 0.02 1 91 27 29 LEU CA C 57.65 0.2 1 92 27 29 LEU CB C 42.3547 0.2 1 93 27 29 LEU N N 121.009 0.2 1 94 28 30 ALA H H 9.11586 0.02 1 95 28 30 ALA CA C 55.214 0.2 1 96 28 30 ALA CB C 17.0247 0.2 1 97 28 30 ALA N N 122.77 0.2 1 98 29 31 MET H H 7.15729 0.02 1 99 29 31 MET CA C 57.7075 0.2 1 100 29 31 MET CB C 32.478 0.2 1 101 29 31 MET N N 113.556 0.2 1 102 30 32 LYS H H 7.3222 0.02 1 103 30 32 LYS CA C 58.4017 0.2 1 104 30 32 LYS CB C 33.3367 0.2 1 105 30 32 LYS N N 118.326 0.2 1 106 31 33 TRP H H 8.12986 0.02 1 107 31 33 TRP CA C 56.3192 0.2 1 108 31 33 TRP CB C 29.6941 0.2 1 109 31 33 TRP N N 116.325 0.2 1 110 32 34 HIS H H 7.19824 0.02 1 111 32 34 HIS CA C 56.9165 0.2 1 112 32 34 HIS CB C 31.0345 0.2 1 113 32 34 HIS N N 106.794 0.2 1 114 33 35 PRO CA C 65.297 0.2 1 115 33 35 PRO CB C 31.9125 0.2 1 116 34 36 ASP H H 10.2227 0.02 1 117 34 36 ASP CA C 56.2665 0.2 1 118 34 36 ASP CB C 39.9037 0.2 1 119 34 36 ASP N N 120.301 0.2 1 120 35 37 LYS H H 8.1085 0.02 1 121 35 37 LYS CA C 55.4905 0.2 1 122 35 37 LYS CB C 31.9345 0.2 1 123 35 37 LYS N N 117.048 0.2 1 124 36 38 HIS H H 7.73775 0.02 1 125 36 38 HIS CA C 55.7165 0.2 1 126 36 38 HIS CB C 31.413 0.2 1 127 36 38 HIS N N 120.149 0.2 1 128 37 39 LEU H H 8.14671 0.02 1 129 37 39 LEU CA C 56.0287 0.2 1 130 37 39 LEU CB C 42.6123 0.2 1 131 37 39 LEU N N 122.145 0.2 1 132 38 40 ASN H H 7.43314 0.02 1 133 38 40 ASN CA C 54.9793 0.2 1 134 38 40 ASN CB C 39.5493 0.2 1 135 38 40 ASN N N 124.473 0.2 1 136 39 41 ASP H H 8.55786 0.02 1 137 39 41 ASP CA C 57.1883 0.2 1 138 39 41 ASP CB C 40.947 0.2 1 139 39 41 ASP N N 122.287 0.2 1 140 40 42 GLU H H 8.83383 0.02 1 141 40 42 GLU CA C 59.3113 0.2 1 142 40 42 GLU CB C 29.1025 0.2 1 143 40 42 GLU N N 119.972 0.2 1 144 41 43 ASP H H 8.18122 0.02 1 145 41 43 ASP CA C 55.4683 0.2 1 146 41 43 ASP CB C 40.8337 0.2 1 147 41 43 ASP N N 120.063 0.2 1 148 42 44 LYS H H 8.293 0.02 1 149 42 44 LYS CA C 60.5647 0.2 1 150 42 44 LYS CB C 32.524 0.2 1 151 42 44 LYS N N 121.909 0.2 1 152 43 45 VAL H H 7.92033 0.02 1 153 43 45 VAL CA C 66.144 0.2 1 154 43 45 VAL CB C 31.7325 0.2 1 155 43 45 VAL N N 118.996 0.2 1 156 44 46 GLU H H 7.59383 0.02 1 157 44 46 GLU CA C 58.608 0.2 1 158 44 46 GLU CB C 29.361 0.2 1 159 44 46 GLU N N 120.678 0.2 1 160 45 47 ALA H H 8.29043 0.02 1 161 45 47 ALA CA C 55.4267 0.2 1 162 45 47 ALA CB C 17.5607 0.2 1 163 45 47 ALA N N 121.767 0.2 1 164 46 48 GLU H H 8.48171 0.02 1 165 46 48 GLU CA C 59.9493 0.2 1 166 46 48 GLU CB C 29.5127 0.2 1 167 46 48 GLU N N 117.73 0.2 1 168 47 49 ARG H H 7.68957 0.02 1 169 47 49 ARG CA C 59.2325 0.2 1 170 47 49 ARG CB C 30.266 0.2 1 171 47 49 ARG N N 119.398 0.2 1 172 48 50 LYS H H 8.10583 0.02 1 173 48 50 LYS CA C 59.3083 0.2 1 174 48 50 LYS CB C 31.777 0.2 1 175 48 50 LYS N N 119.931 0.2 1 176 49 51 PHE H H 9.254 0.02 1 177 49 51 PHE CA C 61.6183 0.2 1 178 49 51 PHE CB C 39.3677 0.2 1 179 49 51 PHE N N 119.971 0.2 1 180 50 52 LYS H H 8.121 0.02 1 181 50 52 LYS CA C 59.2705 0.2 1 182 50 52 LYS CB C 32.454 0.2 1 183 50 52 LYS N N 119.578 0.2 1 184 51 53 LEU H H 7.46967 0.02 1 185 51 53 LEU CA C 57.7297 0.2 1 186 51 53 LEU CB C 41.7733 0.2 1 187 51 53 LEU N N 121.035 0.2 1 188 52 54 ILE H H 8.20471 0.02 1 189 52 54 ILE CA C 65.3163 0.2 1 190 52 54 ILE CB C 37.9493 0.2 1 191 52 54 ILE N N 118.996 0.2 1 192 53 55 GLY H H 7.8325 0.02 1 193 53 55 GLY CA C 47.6907 0.2 1 194 53 55 GLY N N 106.784 0.2 1 195 54 56 GLU H H 7.8758 0.02 1 196 54 56 GLU CA C 59.124 0.2 1 197 54 56 GLU CB C 29.6207 0.2 1 198 54 56 GLU N N 124.037 0.2 1 199 55 57 ALA H H 7.951 0.02 1 200 55 57 ALA CA C 53.886 0.2 1 201 55 57 ALA CB C 18.819 0.2 1 202 55 57 ALA N N 119.735 0.2 1 203 56 58 TYR H H 8.205 0.02 1 204 56 58 TYR CA C 61.222 0.2 1 205 56 58 TYR CB C 39.448 0.2 1 206 56 58 TYR N N 116.379 0.2 1 207 57 59 GLU H H 8.161 0.02 1 208 57 59 GLU CA C 59.271 0.2 1 209 57 59 GLU CB C 28.9437 0.2 1 210 57 59 GLU N N 121.22 0.2 1 211 58 60 VAL H H 6.70514 0.02 1 212 58 60 VAL CA C 65.3723 0.2 1 213 58 60 VAL CB C 31.7653 0.2 1 214 58 60 VAL N N 115.449 0.2 1 215 59 61 LEU H H 7.62986 0.02 1 216 59 61 LEU CA C 56.6067 0.2 1 217 59 61 LEU CB C 41.6347 0.2 1 218 59 61 LEU N N 111.35 0.2 1 219 60 62 SER H H 7.80014 0.02 1 220 60 62 SER CA C 59.2857 0.2 1 221 60 62 SER CB C 63.4007 0.2 1 222 60 62 SER N N 108.529 0.2 1 223 61 63 ASP H H 6.88371 0.02 1 224 61 63 ASP CA C 52.28 0.2 1 225 61 63 ASP CB C 43.2363 0.2 1 226 61 63 ASP N N 124.219 0.2 1 227 62 64 GLU H H 9.01243 0.02 1 228 62 64 GLU CA C 60.6763 0.2 1 229 62 64 GLU CB C 29.7208 0.2 1 230 62 64 GLU N N 124.97 0.2 1 231 63 65 GLU H H 8.07474 0.02 1 232 63 65 GLU CA C 59.126 0.2 1 233 63 65 GLU CB C 28.5633 0.2 1 234 63 65 GLU N N 118.567 0.2 1 235 64 66 LYS CA C 59.9943 0.2 1 236 64 66 LYS CB C 32.6595 0.2 1 237 65 67 ARG H H 9.35985 0.02 1 238 65 67 ARG CA C 60.4537 0.2 1 239 65 67 ARG CB C 29.5123 0.2 1 240 65 67 ARG N N 123.004 0.2 1 241 66 68 LYS H H 7.6875 0.02 1 242 66 68 LYS CA C 59.3227 0.2 1 243 66 68 LYS CB C 31.908 0.2 1 244 66 68 LYS N N 118.204 0.2 1 245 67 69 ASN H H 7.5405 0.02 1 246 67 69 ASN CA C 55.7195 0.2 1 247 67 69 ASN CB C 38.7595 0.2 1 248 67 69 ASN N N 115.526 0.2 1 249 68 70 TYR H H 8.339 0.02 1 250 68 70 TYR CA C 60.7953 0.2 1 251 68 70 TYR CB C 38.7247 0.2 1 252 68 70 TYR N N 122.76 0.2 1 253 69 71 ASP H H 8.51229 0.02 1 254 69 71 ASP CA C 55.5011 0.2 1 255 69 71 ASP CB C 40.8993 0.2 1 256 69 71 ASP N N 118.218 0.2 1 257 70 72 LEU H H 7.41621 0.02 1 258 70 72 LEU CA C 57.68 0.2 1 259 70 72 LEU CB C 45.143 0.2 1 260 70 72 LEU N N 119.956 0.2 1 261 71 73 PHE H H 7.8318 0.02 1 262 71 73 PHE N N 119.907 0.2 1 stop_ save_